4-(2,3-Dihydroxy-3-Methylbutoxy)Furo(3,2-G)Chromen-7-One
PubChem CID: 483513
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| Compound Synonyms | 4-(2,3-Dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one, 24724-52-5, 4-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one, DTXSID10333114, Prangolarin hydrate, (+)-Aviprin, Oxypeucedanin hydric acid, Oprea1_033750, Oprea1_667233, MLS000877013, MEGxp0_000084, CHEMBL1438253, SCHEMBL15944413, ACon1_000447, DTXCID20284204, CHEBI:177798, PEWFWDOPJISUOK-UHFFFAOYSA-N, HMS2267N05, HMS3347D15, IFA16411, AKOS003601375, NCGC00169070-01, SMR000440613, BRD-A22947368-001-01-7, 4-(2,3-dihydroxy-3-methylbutoxy)uro[3,2-g]chromen-7-one, B2703-477521, 4-(2,3-dihydroxy-3-methyl-butoxy)furo[3,2-g]chromen-7-one, 4-(2,3-Dihydroxy-3-methylbutoxy)-7H-furo[3,2-g]chromen-7-one # |
|---|---|
| Topological Polar Surface Area | 89.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 460.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | B2RXH2, Q9Y468, P06746, Q9UNA4, Q9Y253, Q9UBT6, O75496, P80244, P17405, Q13148, Q03431, P27695 |
| Iupac Name | 4-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one |
| Prediction Hob | 1.0 |
| Target Id | NPT48, NPT864, NPT59 |
| Xlogp | 1.6 |
| Molecular Formula | C16H16O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PEWFWDOPJISUOK-UHFFFAOYSA-N |
| Fcsp3 | 0.3125 |
| Logs | -2.942 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.904 |
| Compound Name | 4-(2,3-Dihydroxy-3-Methylbutoxy)Furo(3,2-G)Chromen-7-One |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 304.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 304.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8432203272727272 |
| Inchi | InChI=1S/C16H16O6/c1-16(2,19)13(17)8-21-15-9-3-4-14(18)22-12(9)7-11-10(15)5-6-20-11/h3-7,13,17,19H,8H2,1-2H3 |
| Smiles | CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Archangelica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Heracleum Maximum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Peucedanum Palustre (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Prangos Pabularia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all